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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide 1' and Ligand = 'BDBM50150400'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcitonin gene-related peptide 1


(Homo sapiens (Human))
BDBM50150400
PNG
(CHEMBL3769595)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccccc2F)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C33H43FN6O2/c1-23-19-24(20-26-22-35-37-31(23)26)21-30(32(41)39-17-11-27(12-18-39)38-13-5-2-6-14-38)36-33(42)40-15-9-25(10-16-40)28-7-3-4-8-29(28)34/h3-4,7-8,19-20,22,25,27,30H,2,5-6,9-18,21H2,1H3,(H,35,37)(H,36,42)/t30-/m1/s1
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Article
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n/an/a 170n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from alpha CGRP in human SK-N-MC cells after 2 hrs by scintillation counter


Bioorg Med Chem Lett 26: 1229-32 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.026
BindingDB Entry DOI: 10.7270/Q2NG4SH3
More data for this
Ligand-Target Pair